Geometry & MOs

Info

ID:	186726
PubChem CID:	77473993
Reduced:	NF3O3C9H14 (1)
Stoich.:	AB3C3D9E14 (1)
Weight, g/mol:	479.256626
ΔH_f, kcal/mol:	-298.85
Dipole, Da:	5.59
IP(EA), eV:	-10.04(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-amino-6-[2-(dimethylamino)ethylcarbamoyl-propylcarbamoyl]-8-methyl-4a,5,6,7,8a,9-hexahydro-4H-thieno[3,2-g]quinoline-3-carboxylate

Drug info:

PubChemData

Smile

COC1CCN(CC1)C(=O)C(C(F)(F)F)O

DOS

IR

Vibrations